Related papers: Polymorphism of two-dimensional antiferromagnets, …
Using the density functional tight binding method (DFTB) and the GFN1-xTB (Geometries, Frequencies, and Noncovalent interactions Tight Binding) Hamiltonian, we have investigated the structural, electronic and magnetic properties of vacancy…
We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…
In heavy-fermion compounds, f electrons show both itinerant and localized behaviour depending on the external conditions, and the hybridization between localized f electrons and itinerant conduction bands gives rise to their exotic…
One-dimensional (1D) magnetism offers unidirectional spin interactions that allow unique tunable properties and unconventional spin phenomena. However, it often suffers from poor stability, limiting practical applications. In this regard,…
We present a comprehensive study on the low-temperature orthorhombic phase of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ based on the Korringa-Kohn-Rostoker-Green function approach. Using this bandstructure method in combination with the coherent…
We present an experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag(111). The atomically-resolved scanning tunneling microscopy (STM) images show a new 2D material composed of freely-floating phosphorus…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
We present a dynamical mean-field study of antiferromagnetic magnons in one-, two- and three-orbital Hubbard model of square and bcc cubic lattice at intermediate coupling strength. Weinvestigate the effect of anisotropy introduced by an…
The pivotal role of magnetic anisotropy in stabilising two-dimensional (2D) magnetism has been widely accepted, however, direct correlation between magnetic anisotropy and long-range magnetic ordering in the 2D limit is yet to be explored.…
The Eu-based compound, EuCu2As2, crystallizing in the ThCr2Si2-type tetragonal structure, has been synthesized and its magnetic behavior has been investigated by magnetization (M), heat-capacity (C) and electrical resistivity (rho)…
The temperature-induced orthorhombic to cubic phase transition in Li2C2 is a prototypical example of a solid to solid phase transformation between an ordered phase, which is well described within the phonon theory, and a dynamically…
Determination of the magnetic structure and confirmation of the presence or absence of inversion ($\mathcal{P}$) and time reversal ($\mathcal{T}$) symmetry is imperative for correctly understanding the topological magnetic materials. Here…
We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…
The insulating ferrimagnet Cu2OSeO3 shows a rich variety of phases such as skyrmion lattice and helical magnetism controlled by interplay of different exchange interactions which can be tuned by external pressure. In this work we have…
We investigated the crystal and magnetic structures of the spin-1/2 frustrated antiferromagnet Cu3Mo2O9 in which the spin system consists of antiferromagnetic chains and dimers. The space group at room temperature has been reported to be…
Single crystal neutron and high-energy x-ray diffraction have identified the phase lines corresponding to transitions between the ambient-pressure tetragonal (T), the antiferromagnetic orthorhombic (O) and the non-magnetic collapsed…
We report the results of Raman spectroscopy high-pressure studies of alkali metal fluoroargentates (M2AgF4, where M=Na, K, Rb) associated with theoretical and x-ray diffraction studies for the K member of the series. Theoretical density…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
X-ray diffraction experiments under pressure in a diamond anvil cell have been performed to gauge any response of the crystalline lattice of URu2Si2 to the "hidden order" or antiferromagnetic transitions, the latter of which is accessible…
Inspired by the recently synthesized hexagonal layered phase of FeF$_2$, we studied the magnetic properties of the 1T-FeF$_2$ monolayer and its Janus Fe$X$F ($X$ = O, S) derivatives by first-principles calculations. Our results confirm that…